3-fluoro-N-[(1-methylsulfanylcyclopentyl)methyl]pyridine-2-sulfonamide

C12H17FN2O2S2 — CID 114115960

IUPAC3-fluoro-N-[(1-methylsulfanylcyclopentyl)methyl]pyridine-2-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2ncccc2F)CCCC1
InChIInChI=1S/C12H17FN2O2S2/c1-18-12(6-2-3-7-12)9-15-19(16,17)11-10(13)5-4-8-14-11/h4-5,8,15H,2-3,6-7,9H2,1H3
InChIKeyMQTGMWPNEFEZPX-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.17
Rot. Bonds5

About 3-fluoro-N-[(1-methylsulfanylcyclopentyl)methyl]pyridine-2-sulfonamide

3-fluoro-N-[(1-methylsulfanylcyclopentyl)methyl]pyridine-2-sulfonamide (PubChem CID 114115960) has the molecular formula C12H17FN2O2S2 and a molecular weight of 304.41 g/mol. Its IUPAC name is 3-fluoro-N-[(1-methylsulfanylcyclopentyl)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(1-methylsulfanylcyclopentyl)methyl]pyridine-2-sulfonamide
PubChem CID114115960
Molecular FormulaC12H17FN2O2S2
Molecular Weight304.41 g/mol
Exact Mass304.07
IUPAC Name3-fluoro-N-[(1-methylsulfanylcyclopentyl)methyl]pyridine-2-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2ncccc2F)CCCC1
InChIInChI=1S/C12H17FN2O2S2/c1-18-12(6-2-3-7-12)9-15-19(16,17)11-10(13)5-4-8-14-11/h4-5,8,15H,2-3,6-7,9H2,1H3
InChIKeyMQTGMWPNEFEZPX-UHFFFAOYSA-N
XLogP2.17
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide
CID 103300099
3-fluoro-N-[(1-hydroxycyclopentyl)methyl]pyridine-2-sulfonamide
CID 103300168
3-fluoro-N-[(2-methyloxolan-2-yl)methyl]pyridine-2-sulfonamide
CID 103300255
2-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]pyridine-3-sulfonamide
CID 107270957
N-[1-(bromomethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide
CID 103308349
3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-sulfonamide
CID 103300172
N-(2-amino-2-methylpropyl)-3-fluoropyridine-2-sulfonamide
CID 103302638
3-fluoro-N-(1-methylcyclobutyl)pyridine-2-sulfonamide
CID 103300453
N-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide
CID 114115952
N-(2-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189
N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide
CID 103308428
1-[(3-fluoro-2-pyridinyl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 103298837

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1-methylsulfanylcyclopentyl)methyl]pyridine-2-sulfonamide?
The IUPAC name of 3-fluoro-N-[(1-methylsulfanylcyclopentyl)methyl]pyridine-2-sulfonamide (CID 114115960) is 3-fluoro-N-[(1-methylsulfanylcyclopentyl)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-fluoro-N-[(1-methylsulfanylcyclopentyl)methyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-fluoro-N-[(1-methylsulfanylcyclopentyl)methyl]pyridine-2-sulfonamide is CSC1(CNS(=O)(=O)c2ncccc2F)CCCC1.
What is the InChIKey of 3-fluoro-N-[(1-methylsulfanylcyclopentyl)methyl]pyridine-2-sulfonamide?
The InChIKey is MQTGMWPNEFEZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S2/c1-18-12(6-2-3-7-12)9-15-19(16,17)11-10(13)5-4-8-14-11/h4-5,8,15H,2-3,6-7,9H2,1H3.
What are the key properties of 3-fluoro-N-[(1-methylsulfanylcyclopentyl)methyl]pyridine-2-sulfonamide?
3-fluoro-N-[(1-methylsulfanylcyclopentyl)methyl]pyridine-2-sulfonamide has a molecular weight of 304.41 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1-methylsulfanylcyclopentyl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 114115960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).